2-Bromo-3,4,5-trimethoxybenzoic acid
TL;DR: 2-Bromo-3,4,5-trimethoxybenzoic acid (CAS 23346-82-9) is a chemical compound with molecular formula C10H11BrO5 and molecular weight 289.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3,4,5-trimethoxybenzoic acid
Also Known As: 2-Bromo-3,4,5-trimethoxybenzoic acid, Benzoic acid, 2-bromo-3,4,5-trimethoxy-, 2-Bromo-3,4,5-trimethoxy-benzoic acid, 2-Bromogallic acid trimethyl ether, 1541AB
| Molecular Formula | C10H11BrO5 |
|---|---|
| Molecular Weight | 289.98 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.979 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 23346-82-9 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1)C(=O)O)Br)OC)OC |
| InChIKey | AUVPVHYYPCTFAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-3,4,5-trimethoxybenzoic acid (CAS 23346-82-9), with molecular formula C10H11BrO5 and molecular weight 289.98 g/mol. IUPAC: 2-bromo-3,4,5-trimethoxybenzoic acid.
Chemical Property Profile of 2-Bromo-3,4,5-trimethoxybenzoic acid
Property Insights of 2-Bromo-3,4,5-trimethoxybenzoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-3,4,5-trimethoxybenzoic acid. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-3,4,5-trimethoxybenzoic acid. Following Lipinski's Rule of Five, 2-Bromo-3,4,5-trimethoxybenzoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Bromo-3,4,5-trimethoxybenzoic acid?
The CAS number of 2-Bromo-3,4,5-trimethoxybenzoic acid is 23346-82-9.
What is the molecular formula of 2-Bromo-3,4,5-trimethoxybenzoic acid?
The molecular formula of 2-Bromo-3,4,5-trimethoxybenzoic acid is C10H11BrO5.
What is the molecular weight of 2-Bromo-3,4,5-trimethoxybenzoic acid?
The molecular weight of 2-Bromo-3,4,5-trimethoxybenzoic acid is 289.98 g/mol.
Where can I buy 2-Bromo-3,4,5-trimethoxybenzoic acid?
You can request a quote for 2-Bromo-3,4,5-trimethoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-3,4,5-trimethoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3,4,5-trimethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.